2-propan-2-yloxybicyclo[3.2.1]oct-1-ene

C11H18O — CID 143369907

IUPAC2-propan-2-yloxybicyclo[3.2.1]oct-1-ene
SMILESCC(C)OC1=C2CCC(CC1)C2
InChIInChI=1S/C11H18O/c1-8(2)12-11-6-4-9-3-5-10(11)7-9/h8-9H,3-7H2,1-2H3
InChIKeyGEWNRKCSYMHIAN-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.26
Rot. Bonds2

About 2-propan-2-yloxybicyclo[3.2.1]oct-1-ene

2-propan-2-yloxybicyclo[3.2.1]oct-1-ene (PubChem CID 143369907) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-propan-2-yloxybicyclo[3.2.1]oct-1-ene.

Molecular Properties

Compound Name2-propan-2-yloxybicyclo[3.2.1]oct-1-ene
PubChem CID143369907
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-propan-2-yloxybicyclo[3.2.1]oct-1-ene
SMILESCC(C)OC1=C2CCC(CC1)C2
InChIInChI=1S/C11H18O/c1-8(2)12-11-6-4-9-3-5-10(11)7-9/h8-9H,3-7H2,1-2H3
InChIKeyGEWNRKCSYMHIAN-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxybicyclo[3.2.1]oct-1-ene?
The IUPAC name of 2-propan-2-yloxybicyclo[3.2.1]oct-1-ene (CID 143369907) is 2-propan-2-yloxybicyclo[3.2.1]oct-1-ene.
What is the SMILES notation for 2-propan-2-yloxybicyclo[3.2.1]oct-1-ene?
The canonical SMILES for 2-propan-2-yloxybicyclo[3.2.1]oct-1-ene is CC(C)OC1=C2CCC(CC1)C2.
What is the InChIKey of 2-propan-2-yloxybicyclo[3.2.1]oct-1-ene?
The InChIKey is GEWNRKCSYMHIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-8(2)12-11-6-4-9-3-5-10(11)7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-propan-2-yloxybicyclo[3.2.1]oct-1-ene?
2-propan-2-yloxybicyclo[3.2.1]oct-1-ene has a molecular weight of 166.26 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxybicyclo[3.2.1]oct-1-ene is sourced from PubChem (CID 143369907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).